2R6K
Crystal structure of an I71V hGSTA1-1 mutant in complex with S-hexylglutathione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Collection date | 2005-04-14 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 98.409, 93.577, 50.717 |
Unit cell angles | 90.00, 93.05, 90.00 |
Refinement procedure
Resolution | 20.090 - 2.510 |
R-factor | 0.2106 |
Rwork | 0.206 |
R-free | 0.29829 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1K3L.pdb |
RMSD bond length | 0.025 |
RMSD bond angle | 2.317 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.091 | |
High resolution limit [Å] | 2.510 | 2.510 |
Number of reflections | 14904 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 297 | 14 mg protein per ml, 0.1M Tris-HCl, 10 mM DTT, 19% PEG4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K |